构造-流体-成矿体系的反应-输运-力学耦合模型和动力学模拟

建立了一个综合的构造流体成矿体系的反应输运力学耦合动力学模型。利用有限元方法求解岩石变形、断裂作用和断裂网络统计动力学、流体流动、有机和无机地球化学反应及成岩成矿作用、压力溶液和其它压实力学、热迁移的方程组 ,可以对构造流体成矿体系的动力学演化过程进行 1～ 3维数值模拟。模拟的主要内容是在各种过程耦合作用下描述构造流体成矿体系的主要变量的时空演化 :( 1)与成矿流体的形成和性质有关的变量 ,如地层中矿物 (包括成矿物质 )的溶解速率、流体中各组分的浓度与饱和度、流体温度、压力、离子强度等 ;( 2 )与构造变形和流体运移有关的各变量 ,如应力与变形速率、岩石孔隙度、构造 (断裂 )渗透率等 ;( 3 )与沉淀成矿有关的变量 ,如矿物 (金属矿物和脉石矿物 )的成核速率、各矿物的沉淀量等 ;( 4 )上述各有关变量间的时空耦合关系 ,如断裂渗透率时空演化与流体流动、汇聚和成矿的耦合关系等。以湖南沃溪金锑钨矿床为例 ,应用该模型和方法对成矿动力学过程和动力学机制进行了初步的模拟与分析。     

考虑泥沙影响的污染物输运年龄数值模拟

自然水体中污染物的迁移、转化规律与经泥沙吸附后的沉降、再悬浮等泥沙过程密切相关,其机制尚不明确。采用污染物输运年龄对泥沙影响进行了量化分析,并应用于南黄海辐射沙脊群西洋海域。基于水体中泥沙-污染物模型,推导了考虑泥沙影响的污染物输运年龄的计算方程,通过数值模拟分析了污染物分配系数KD对污染物输运年龄空间分布的影响。研究成果表明:计入泥沙影响后,污染物浓度显著减小,污染物输运年龄随之增大,表明泥沙对污染物扩散起阻碍作用;污染物分配系数KD表征泥沙吸附能力,污染物输运年龄与其呈一定的正相关性,当该系数达到一定值(KD=10^3L/g)时,泥沙吸附能力趋于饱和,污染物输运年龄不再发生显著改变。     

基于一个年龄概念的河口污染物输运数值模拟

根据Deleersnijder定义的一个平均年龄概念,运用耦合了物质输运模式的一个三维水动力-富营养化数值模型(HEM-3D),研究了位于美国北卡罗莱纳州Pamlico河口(PRE)的污染物输运时间在不同淡水流量影响下的分布情况。模型结果表明,在正常期,污染物被输运出PRE需要大约65d的时间。而在枯水期和洪水期,污染物分别需要230d和20d时间被输运出PRE。这表明物质输运过程明显受淡水流量的影响。污染物输运时间的空间变化显著受河口中盐度入侵的影响,咸水入侵在其可以达到的最大区域形成了一个盐度锋面,而这个锋面阻碍了污染物向外的输运。盐度层化对输运时间的垂向分布影响显著,输运时间垂向梯度随着盐度层化的增强而增大。     

非饱和土化学-水力-力学耦合行为数值模拟

在描述非饱和土力学本构行为的Gens-Alonso模型[1]的基础上,结合化学浓度对前固结压力的软化公式[2],并考虑了化学浓度对黏聚力的软化作用,建立了描述非饱和土化学-水力-力学耦合行为的本构模型。对包括化学-水力-力学本构关系、流体流动和污染物传输的控制方程的平衡方程组进行有限元离散,并采用此非饱和土化学-水力-力学耦合行为的数值模型对非饱和土中隧道周围化学-水力-力学耦合过程进行了模拟,对纯粹的力学响应、弹性化学力学响应、弹塑性化学力学响应 3 种情况进行了分析,数值结果显示了化学浓度作用下隧道周围的体积变化量和应力状态比单纯的力学响应有较大的提高,隧道表面的收缩量也有明显的增大。数值模拟的结果显示了该方法对模拟非饱和土复杂的耦合行为的可行性。     

考虑成层弹性地基固结的污染物运移模型

文章在多层地基固结理论与污染物运移理论相结合的基础上,提出了污染物在成层弹性地基中运移的一维数学模型,其最大特点是考虑了土体受力变形对污染物运移的影响,然后给出了所建模型的解析解,并将计算结果与太湖疏浚污染底泥堆场的实测结果作了比较分析。结果表明堆场的地基土层对太湖疏浚底泥中的污染物具备足够的阻隔能力,在堆场的使用年限内不会对周围环境造成二次污染。实际天然防渗层中以成层土居多,故推导出的污染物在成层土中运移模型具有重要的工程价值和现实意义。     

考虑土体固结变形的污染物运移模型

土体的固结压缩变形对污染物的运移具有重要的影响,而目前国内关于污染物在变形多孔介质中运移规律的研究尚处于空白,在国外也是近几年才有人开始这方面的研究工作。在Biot固结理论和污染物运移理论相结合的基础上,提出了污染物在黏土防渗层中迁移转化的一维数学模型,该模型的最大特点是考虑了土体受力变形对污染物运移的影响,在合理简化的基础上给出了模型的解析解,并将计算结果与太湖疏浚污染底泥堆场的实测结果进行了比较分析,模拟计算的结果在一定程度上能够反映实际土层中污染物的运移情况。     

城市地表径流-灰尘-污染物输移研究进展

城市地表"径流-灰尘-污染物"作为一个三相介质系统,相互作用机理十分复杂。分别从城市地表灰尘颗粒对不同种类污染物的吸附效应及时空分布规律、地表(坡面)降雨径流特性及过程模拟、地表径流-灰尘-污染物协同输移与削减等方面,总结与分析了现有的研究进展。从本质上来看,城市地表灰尘可视为由不同粒径泥沙颗粒组成的综合体,有必要基于泥沙运动力学理论加强对地表径流中灰尘颗粒运动规律的研究,并以灰尘颗粒对不同污染物的吸附、沉淀作用为纽带,探讨"径流-灰尘-污染物"的协同输移与削减机制。其中,如何有效扩展城市调查样本容量,比较研究不同下垫面径流动力特性,并从径流能量或功率角度出发,研究不同粒径灰尘颗粒的分组起动与输移规律,并建立在径流输送过程中的挟沙力方程,将是今后需要深入研究的问题。     

求解热质输运-反应体系动力学模型的指数拟合有限体积法及模拟软件

热质输运-反应体系对于热液成矿、污染物迁移等均十分重要．该体系包括热质输运、流体渗流、地球化学平衡计算、多组分化学反应－输运过程耦会等动力学过程．介绍了求解热质输运－反应动力学方程的指数拟合有限体积方法,并编制了相应的计算机软件．     

饱和多孔介质中水力-力学-传质耦合过程的混合有限元法

对饱和多孔介质提出了一个含溶混污染物输运（传质）过程的混合元方法,其中污染物输运过程数学模型包含了对流、机械逸散、分子弥散和吸附等机制。固相位移、应变和有效应力,孔隙水压力、压力空间梯度和Darcy速度,污染物浓度、浓度空间梯度和浓度流量在单元内均为独立变量分别插值。基于胡海昌-Washizu三变量广义变分原理,结合可以滤掉虚假振荡的特征线方法,推导出饱和土中水力-力学-传质耦合问题控制方程的单元弱形式,并导出了混合元计算公式。数值模拟证明了所提出的方法可以提供与传统4点积分方案同样精度,同时能够提高计算效率。     

城市地表径流-灰尘-污染物输移研究进展

城市地表"径流-灰尘-污染物"作为一个三相介质系统，相互作用机理十分复杂。分别从城市地表灰尘颗粒对不同种类污染物的吸附效应及时空分布规律、地表（坡面）降雨径流特性及过程模拟、地表径流-灰尘-污染物协同输移与削减等方面，总结与分析了现有的研究进展。从本质上来看，城市地表灰尘可视为由不同粒径泥沙颗粒组成的综合体，有必要基于泥沙运动力学理论加强对地表径流中灰尘颗粒运动规律的研究，并以灰尘颗粒对不同污染物的吸附、沉淀作用为纽带，探讨"径流-灰尘-污染物"的协同输移与削减机制。其中，如何有效扩展城市调查样本容量，比较研究不同下垫面径流动力特性，并从径流能量或功率角度出发，研究不同粒径灰尘颗粒的分组起动与输移规律，并建立在径流输送过程中的挟沙力方程，将是今后需要深入研究的问题。     

One‐dimensional contaminant transport through a deforming porous medium: theory and a solution for a quasi‐steady‐state problem

Contaminant migration through soil is usually modelled mathematically using the dispersion–advection equation. This type of model finds application when planning the remediation of contaminated land, predicting the movement of polluted groundwater and designing engineered landfills. Usually the analysis assumes that the porous media through which the contaminant migrates is stationary. However, the construction of landfills on clay soils means that the soil beneath the landfill will undergo time‐dependent deformation as the soil consolidates. To date, there are no published data on the effect a deforming porous media may have on contaminant transport beneath a landfill; indeed, there appears to be no theory of contaminant migration through a deforming soil. In this paper, a one‐dimensional theory of contaminant migration through a saturated deforming porous media is developed based on a small and large strain analysis of a consolidating soil and conservation of contaminant mass. By selection of suitable parameters, the new transport equation reduces to the familiar one‐dimensional dispersion–advection equation for a saturated soil with linear, reversible, equilibrium controlled sorption of the contaminant onto the soil skeleton. Analytic solutions to a quasi‐steady‐state contaminant transport problem for a deforming media are presented, and a preliminary assessment made of the potential importance of soil deformation on the results of a contaminant migration analysis. Copyright © 2000 John Wiley & Sons, Ltd.     

A novel technique for studying diffusion of contaminants in fine-grained soils

Diffusion is one of the predominant contaminant transport mechanisms in fine-grained soils. Usually, conventional methods such as half-cell and column tests are adopted for establishing diffusion characteristics of such soils. However, these techniques are destructive in nature, quite time-consuming, and require cumbersome chemical analysis of the soil and its pore-solution. Hence, development of a technique that would overcome these limitations and would yield precise results, in extremely short duration, becomes essential. With this in view, a modified Perspex diffusion cell with provision for inserting a series of stainless steel electrodes has been fabricated to monitor the diffusive contaminant transport, indirectly, based on the variation of electrical impedance of the soil. An LCR meter is employed to measure the electrical impedance of the soil across each electrode over a period. Further, the electrical impedance variation is indirectly correlated to the diffusion of contaminants that occurs in the soil. Details of the study and the test setup developed for this purpose are presented in this paper. It has been demonstrated that the technique based on electrical impedance measurement is quite useful and efficient for establishing diffusion characteristics of the fine-grained soil.     

Towards a nonperturbation transport theory in hetereogeneous aquifers

A large body of existing theories of flow and contaminant transport in aquifers ignore the presence of recharge, eliminate the boundary conditions, neglect transient conditions in groundwater flow, conceive hydraulic gradients as linear, and require parameter variability to be stationary and Gaussian. The most outstanding and difficult to justify assumption is the subjective small size of the stochastic terms (i.e., small perturbation methods), which usually is forced by considering the logarithm of the hydraulic conductivity. Several problems in flow and contaminant subsurface hydrology, such as the enhanced dispersion parameters with plume size or time after injection, remain to be observed in the light of a stochastic theory that allows a more realistic consideration of physical and hydrologic properties. In this article, an attempt is made to reformulate a contaminant transport equation (the variable dispersion equation, VDE) with transport parameters in terms of regional hydrologic and aquifer hydraulic properties, such as recharge rate, spatially random transmissivity, hydraulic gradient, aquifer thickness, and soil porosity. Subsequently, a general analytic procedure, the method of decomposition, is used to derive a solution to the VDE. This procedure does not require small perturbation, logarithmic transformations, or specific probability law assumptions. Comparison tests with existing theoretical and field results are given. The tests illustrate the enhanced dispersion and shifting concentration effects produced by the variable dispersion equation. Finally a generalization of the method to nonstationary dispersion in three-dimensional domains is proposed.     

Sequestration of organic contaminants in soil/sediment and its impact on contaminant fate

Adsorption and desorption are critical processes controlling the fate and transport of organic contaminants in natural environment. Numerous studies have shown that only a fraction of contaminants in soil or sediment can readily be desorbed to the aqueous phase, while desorption of the remaining fraction is very difficult and does not follow the conventional desorption models-a phenomenon typically referred to as ＂resistant desorption＂ or ＂sequestration＂ and is argued by many as the cause of reduced availability of contaminants in soil and sediment. While this reduced availability often reduces the effectiveness of soil and sediment remediation, the same effect can also greatly reduce risk of contaminated soil and sediment. The authors have conducted extensive lab and field studies to characterize the unique properties of sequestration of organic contaminants and to understand the mechanism（s） controlling sequestration. Thus far, over 50 different contaminant-soil/sediment combinations have been evaluated, using contaminants of varied physical-chemical properties （e.g., chlorinated benzenes, PAHs, PCBs, DDT, atrazine, hexachlorocyclohexane isomers, etc.）. Several unique characteristics of sequestration have been observed, and the most striking one is that despite the significant differences in chemical and soil properties, desorption of sequestered contaminants for all the contaminant-soil/sediment combinations exhibited very similar KOC （organic-carbon normalized partition coefficient） and very similar desorption kinetics.     

污染泥堆场处置中自重固结与污染物迁移的耦合分析

基于一维固结方程和对流-弥散方程,提出了一种用于污染泥堆场处置中自重固结与污染物迁移耦合问题的求解方法,其中,自重固结方程由解析解直接求解,污染物迁移方程由显示差分法求解。在自重固结方面,新方法可考虑线性的压缩关系和渗透关系;在污染物迁移方面,新方法能够考虑对流、扩散、机械弥散、线性和非线性吸附以及孔隙率相依的有效扩散系数。新方法与CST1数值模型进行了对比,验证了新方法的正确性。基于所提出的解,分析了固结效应、压缩系数、渗透系数和污染物初始分布形式对污染物在淤泥中迁移过程的影响。计算结果表明:固结效应、压缩性、渗透性和污染物的初始分布形式对污染物的迁移过程有着显著的影响;固结效应能显著地加速污染物的流出;土体的压缩系数越大其污染物累计流出质量越大;土体的渗透系数越大其污染物累计流出质量越大;污染物的初始分布形式对污染物的流出速率影响较大。     

大变形黏土防渗层中的污染物迁移和转化规律研究

国内湖泊疏浚污染底泥堆场一般以较厚的黏土层作为主要防渗层,由于在上覆底泥作用下黏土层会发生较大的固结变形,因此,在研究黏土防渗层中的污染物运移和转化规律时,应该考虑土体变形的影响。基于Gibson一维大变形固结理论和饱和多孔介质中的污染物对流扩散方程,建立了二者耦合的可变形多孔介质中污染物的运移和转化模型,其中首次考虑了土体自重和生物降解作用的影响。利用所建立模型的数值解,研究了在可变形黏土防渗层中的污染物运移和转化规律,同时分析了模型中不同项和主要参数的作用和影响。研究结果表明,土体大变形对黏土防渗层中污染物的运移有着较复杂的影响,一方面土体变形会加速污染物的运移;另一方面土体固结带来的渗透性减小会增加污染物的穿透时间,二者的不同作用取决于众多的影响因素,如土层厚度和吸附作用等。研究结果对于评估天然黏土防渗层对污染物的阻隔作用有重要的指导意义。     

裂隙岩体中污染物运移过程的数值模拟

基于双重介质理论模型建立了污染物在地下环境中运移的耦合数学模型,给出了有限元离散的数值格式。并以核废料储存过程中核素90Sr为例,采用所建立的数值模型模拟其在裂隙岩体中运移过程,预测了污染物的浓度分布范围和发展趋势。模拟结果表明:核素90Sr在处置库中运行40年后,下游地区的抽水井的浓度可达到3 100 Bq/m3,超出了国家规定的标准,为固体废物场址的选择以及污染的控制提供了决策依据。     

运移参数对GCL中污染物运移的影响研究

分析了运移参数的变化对GCL中污染物运移的影响。从衬垫底部浓度比、对流和扩散通量、污染物累积运移量等方面,对污染物在GCL中的运移进行了计算。结果表明,减小渗透系数和扩散系数可以有效减缓衬垫底部浓度比的增加速度。渗透系数对对流通量的大小、扩散通量的变化速度的影响较大;扩散系数主要影响最大扩散通量。当渗透系数较大时,可以忽略扩散累积运移量,用对流累积运移量代替总累积运移量引起的误差很小。当渗透系数较小时,忽略扩散运移量可能产生较大的误差,尤其是在扩散系数也较大的情况下误差更加明显。     

Theoretical investigation of the effects of consolidation on contaminant transport through clay barriers

Consolidation of clayey contaminant barriers such as landfill liners has been postulated as a cause of early breakthrough of contaminants. In this paper we theoretically investigate this proposition. For this purpose a sophisticated one‐dimensional, large‐deformation model of coupled mechanical consolidation and solute transport is employed. This new model is a generalization of existing coupled consolidation and solute transport models described in the literature. It takes into account both non‐linearities in geometry as well as constitutive relations. The latter relate the compressibility, hydraulic conductivity and coefficient of effective diffusivity to the deformation of the soil. The model is applied to a case study of a clay liner and geomembrane system. Results obtained from numerical solution of the model equations are compared with those from various simplified models, including a ‘diffusion only’ (i.e. a rigid soil) model traditionally used in contaminant barrier design. For barriers incorporating low compressibility soils (as for many well compacted clays), there is little difference between contaminant transit (i.e. breakthrough) times predicted by the two models. However, for contaminant barriers incorporating more compressible soils, consolidation is shown to significantly accelerate transport. These results indicate the potential importance of accounting for the effects of soil consolidation and highlight the limitations of existing models when modelling solute transport through composite barriers utilizing soft soils. Based on these limited results, we suggest a possible way of taking into account soil consolidation using simplified models. Copyright © 2008 John Wiley & Sons, Ltd.